2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one

C22H27F2N3O4Si — CID 66602461

IUPAC2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(OC(F)F)c(OC3CC3)c2)cc2c(=O)[nH]ncc21
InChIInChI=1S/C22H27F2N3O4Si/c1-32(2,3)9-8-29-13-27-17(11-16-18(27)12-25-26-21(16)28)14-4-7-19(31-22(23)24)20(10-14)30-15-5-6-15/h4,7,10-12,15,22H,5-6,8-9,13H2,1-3H3,(H,26,28)
InChIKeyBZMSSLQTCBSJSY-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.85
Rot. Bonds10

About 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one

2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one (PubChem CID 66602461) has the molecular formula C22H27F2N3O4Si and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
PubChem CID66602461
Molecular FormulaC22H27F2N3O4Si
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(OC(F)F)c(OC3CC3)c2)cc2c(=O)[nH]ncc21
InChIInChI=1S/C22H27F2N3O4Si/c1-32(2,3)9-8-29-13-27-17(11-16-18(27)12-25-26-21(16)28)14-4-7-19(31-22(23)24)20(10-14)30-15-5-6-15/h4,7,10-12,15,22H,5-6,8-9,13H2,1-3H3,(H,26,28)
InChIKeyBZMSSLQTCBSJSY-UHFFFAOYSA-N
XLogP4.85
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one (CID 66602461) is 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one is C[Si](C)(C)CCOCn1c(-c2ccc(OC(F)F)c(OC3CC3)c2)cc2c(=O)[nH]ncc21.
What is the InChIKey of 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is BZMSSLQTCBSJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O4Si/c1-32(2,3)9-8-29-13-27-17(11-16-18(27)12-25-26-21(16)28)14-4-7-19(31-22(23)24)20(10-14)30-15-5-6-15/h4,7,10-12,15,22H,5-6,8-9,13H2,1-3H3,(H,26,28).
What are the key properties of 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one?
2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 463.56 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 66602461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).